1-(2,2-difluoroethenyl)-4-methylcyclohexane

C9H14F2 — CID 59946522

IUPAC1-(2,2-difluoroethenyl)-4-methylcyclohexane
SMILESCC1CCC(C=C(F)F)CC1
InChIInChI=1S/C9H14F2/c1-7-2-4-8(5-3-7)6-9(10)11/h6-8H,2-5H2,1H3
InChIKeyKXRMFXYVURBZKZ-UHFFFAOYSA-N
MW160.21 g/mol
LogP3.59
Rot. Bonds1

About 1-(2,2-difluoroethenyl)-4-methylcyclohexane

1-(2,2-difluoroethenyl)-4-methylcyclohexane (PubChem CID 59946522) has the molecular formula C9H14F2 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1-(2,2-difluoroethenyl)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(2,2-difluoroethenyl)-4-methylcyclohexane
PubChem CID59946522
Molecular FormulaC9H14F2
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1-(2,2-difluoroethenyl)-4-methylcyclohexane
SMILESCC1CCC(C=C(F)F)CC1
InChIInChI=1S/C9H14F2/c1-7-2-4-8(5-3-7)6-9(10)11/h6-8H,2-5H2,1H3
InChIKeyKXRMFXYVURBZKZ-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethenyl)-4-methylcyclohexane?
The IUPAC name of 1-(2,2-difluoroethenyl)-4-methylcyclohexane (CID 59946522) is 1-(2,2-difluoroethenyl)-4-methylcyclohexane.
What is the SMILES notation for 1-(2,2-difluoroethenyl)-4-methylcyclohexane?
The canonical SMILES for 1-(2,2-difluoroethenyl)-4-methylcyclohexane is CC1CCC(C=C(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethenyl)-4-methylcyclohexane?
The InChIKey is KXRMFXYVURBZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2/c1-7-2-4-8(5-3-7)6-9(10)11/h6-8H,2-5H2,1H3.
What are the key properties of 1-(2,2-difluoroethenyl)-4-methylcyclohexane?
1-(2,2-difluoroethenyl)-4-methylcyclohexane has a molecular weight of 160.21 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethenyl)-4-methylcyclohexane is sourced from PubChem (CID 59946522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).